Gimadiev T.; Nugmanov R.; Khakimova A.; Fatykhova A.; Madzhidov T.; Sidorov P.; Varnek A.
(2021)
This work introduces CGRdb2.0─an open-source database management system for molecules, reactions, and chemical data. CGRdb2.0 is a Python package connecting to a PostgreSQL database that enables native searches for molecules ...